SCHEMBL5820977

SCHEMBL5820977

CC(=O)Nc1ccc(OCC(=Cc2ccc(C(=O)O)cc2)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
MAPT P10636 5/20 0.53
RAB9A P51151 2/20 0.53
HTT P42858 2/20 0.53
HSD17B10 Q99714 2/20 0.53
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
PTGS2 P35354 1/20 0.47
PKM P14618 2/20 0.47
POLB P06746 2/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5797667 0.91 MAPT (0.54) ALDH1A1MAPTRAB9AHTTHSD17B10
SCHEMBL5820244 0.77 MAPT (0.49) ALDH1A1MAPTRAB9AHTTHSD17B10
SCHEMBL28612693 0.75 MEN1 (0.73) ALDH1A1RAB9AKMT2AMEN1TDP1
SCHEMBL5799050 0.75 MAPT (0.55) ALDH1A1MAPTRAB9AHTTHSD17B10
SCHEMBL5799655 0.74 RAB9A (0.51) ALDH1A1MAPTRAB9AHTTKMT2A
SCHEMBL6304948 0.74 MEN1 (0.59) ALDH1A1MAPTRAB9AHTTKMT2A
SCHEMBL839926 0.74 MEN1 (0.69) ALDH1A1MAPTRAB9AHTTHSD17B10
Acedoben SCHEMBL24320 0.73 ALDH1A1 (0.68) ALDH1A1MAPTRAB9AHTTHSD17B10
SCHEMBL25195104 0.73 MAPT (0.66) ALDH1A1MAPTRAB9AHTTHSD17B10
SCHEMBL5799862 0.73 MAPT (0.56) ALDH1A1MAPTRAB9AKMT2ATDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO disclosed